Geometry & MOs

Info

ID:	312256
PubChem CID:	126603909
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	392.29266
ΔH_f, kcal/mol:	-62.7
Dipole, Da:	3.67
IP(EA), eV:	-8.28(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-tert-butyl-4,4-dimethylpentanoyl)oxyethyl adamantane-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C(=C/C=C(\C=O)/O)/N

DOS

IR

Vibrations